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DOE OSTI · 1736523

Materials Data on Mg(MnSn)6 by Materials Project

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Abstract

MgMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded to eight Sn atoms to form edge-sharing MgSn8 hexagonal bipyramids. There are two shorter (2.93 Å) and six longer (3.14 Å) Mg–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.81 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to one Mg and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Mg and six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms.

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36 MATERIALS SCIENCEcrystal structureMg(MnSn)6Mg-Mn-Sn

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2020-05-02. Materials Data on Mg(MnSn)6 by Materials Project. https://doi.org/10.17188/1736523

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